6-(3-methylbut-2-enoylamino)pyridine-2-carboxylic acid

C11H12N2O3 — CID 63642903

IUPAC6-(3-methylbut-2-enoylamino)pyridine-2-carboxylic acid
SMILESCC(C)=CC(=O)Nc1cccc(C(=O)O)n1
InChIInChI=1S/C11H12N2O3/c1-7(2)6-10(14)13-9-5-3-4-8(12-9)11(15)16/h3-6H,1-2H3,(H,15,16)(H,12,13,14)
InChIKeyIGWRNCCNWWMPBB-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.68
Rot. Bonds3

About 6-(3-methylbut-2-enoylamino)pyridine-2-carboxylic acid

6-(3-methylbut-2-enoylamino)pyridine-2-carboxylic acid (PubChem CID 63642903) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 6-(3-methylbut-2-enoylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(3-methylbut-2-enoylamino)pyridine-2-carboxylic acid
PubChem CID63642903
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name6-(3-methylbut-2-enoylamino)pyridine-2-carboxylic acid
SMILESCC(C)=CC(=O)Nc1cccc(C(=O)O)n1
InChIInChI=1S/C11H12N2O3/c1-7(2)6-10(14)13-9-5-3-4-8(12-9)11(15)16/h3-6H,1-2H3,(H,15,16)(H,12,13,14)
InChIKeyIGWRNCCNWWMPBB-UHFFFAOYSA-N
XLogP1.68
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-[(3-hydroxy-2-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 82827110
N-(6-bromo-2-pyridinyl)-3-methylbut-2-enamide;pyridine-2,6-diamine
CID 172837037
6-(4-acetamidoanilino)pyridine-2-carboxylic acid
CID 62255530
6-[(2,2,2-trifluoroacetyl)amino]pyridine-2-carboxylic acid
CID 63644130
6-[(4-fluorobenzoyl)amino]pyridine-2-carboxylic acid
CID 63643772
(E)-N-[6-[(E)-1-(methylamino)prop-1-en-2-yl]-2-pyridinyl]but-2-enamide
CID 155395100
6-[[2-(2-methylphenyl)acetyl]amino]pyridine-2-carboxylic acid
CID 63641670
6-[(2-methoxy-2-phenylacetyl)amino]pyridine-2-carboxylic acid
CID 63641845
6-[(3-hydroxybenzoyl)amino]pyridine-2-carboxylic acid
CID 55249899
6-(cyclopent-3-ene-1-carbonylamino)pyridine-2-carboxylic acid
CID 64767181
6-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 63643592
6-[(2-hydroxy-5-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 63642015

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylbut-2-enoylamino)pyridine-2-carboxylic acid?
The IUPAC name of 6-(3-methylbut-2-enoylamino)pyridine-2-carboxylic acid (CID 63642903) is 6-(3-methylbut-2-enoylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(3-methylbut-2-enoylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(3-methylbut-2-enoylamino)pyridine-2-carboxylic acid is CC(C)=CC(=O)Nc1cccc(C(=O)O)n1.
What is the InChIKey of 6-(3-methylbut-2-enoylamino)pyridine-2-carboxylic acid?
The InChIKey is IGWRNCCNWWMPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-7(2)6-10(14)13-9-5-3-4-8(12-9)11(15)16/h3-6H,1-2H3,(H,15,16)(H,12,13,14).
What are the key properties of 6-(3-methylbut-2-enoylamino)pyridine-2-carboxylic acid?
6-(3-methylbut-2-enoylamino)pyridine-2-carboxylic acid has a molecular weight of 220.23 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylbut-2-enoylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 63642903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).